Cas no 19894-99-6 (3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, (1R,2R,4S,6R)-)
3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, (1R,2R,4S,6R)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, (1R,2R,4S,6R)-
- L-ALPHA-(-)-PINENE OXIDE
- 2-phenylbutanoic anhydride
- 2-Phenylbutyric acid anhydride
- 2-Phenylbutyric anhydride
- 78265_ALDRICH
- 78265_FLUKA
- AC1L2T8N
- AC1Q5XDP
- ACMC-1BQ2D
- CTK8C6016
- epoxy-orthodene
- rac-2-phenylbutanoic acid anhydride
- 3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, [1R-(1a,2b,4b,6a)]-
- Pinane, 2,3-epoxy-,(1R,2R,3S,5R)-(-)- (8CI)
- (-)-(1R)-a-Pinene epoxide
- (-)-a-Pinene oxide
- (1r,2r,3s,5r)-(-)-2,3-epoxypinane
- (-)-alpha-Pinene oxide(1R,2R,3S,5R)-(-)-2,3-Epoxypinane
- (1β,4α,6β)-2α,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- (1R,4α,6β)-2α,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- (1R,4α,6R)-2α,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- (1R,2R,4S,6R)-2,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- (1R,2R,4S,6R)-2α,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- (1R,1β,4α,6β)-2α,7,7-Trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- (-)-alpha-Pinene oxide,95%
- AKOS006292581
- NS00007940
- (-)-alpha-pinene oxide
- [1R-(1,2,4,6)]-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- DTXSID701036142
- W-110504
- (1R,2R,4S,6R)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.0,octane
- 19894-99-6
- (1R-(1alpha,2beta,4beta,6alpha))-2,2,7-Trimethyl-3-oxatricyclo(4.1.1.02,4)octane
- EC 243-411-2
- SCHEMBL15756201
- EINECS 243-411-2
-
- Inchi: 1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3/t6-,7-,8+,10-/m1/s1
- InChI Key: NQFUSWIGRKFAHK-BDNRQGISSA-N
- SMILES: O1[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]12C
Computed Properties
- Exact Mass: 152.12018
- Monoisotopic Mass: 152.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 221
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 12.5
Experimental Properties
- Color/Form: Not available
- Density: 0.9600
- Boiling Point: 192℃
- Flash Point: 65.6°C
- Refractive Index: 1.4690
- PSA: 12.53
- LogP: 2.20990
- Solubility: Not available
3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, (1R,2R,4S,6R)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM344638-25g |
(1R,2R,4S,6R)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane |
19894-99-6 | 95%+ | 25g |
$*** | 2023-03-29 | |
| Chemenu | CM344638-100g |
(1R,2R,4S,6R)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane |
19894-99-6 | 95%+ | 100g |
$*** | 2023-03-29 | |
| A2B Chem LLC | AE98687-1g |
(-)-Alpha-pinene oxide |
19894-99-6 | 95% | 1g |
$18.00 | 2024-04-20 | |
| A2B Chem LLC | AE98687-5g |
(-)-Alpha-pinene oxide |
19894-99-6 | 95% | 5g |
$30.00 | 2024-04-20 | |
| A2B Chem LLC | AE98687-25g |
(-)-Alpha-pinene oxide |
19894-99-6 | 95% | 25g |
$69.00 | 2024-04-20 | |
| A2B Chem LLC | AE98687-100g |
(-)-Alpha-pinene oxide |
19894-99-6 | 95% | 100g |
$176.00 | 2024-04-20 | |
| 1PlusChem | 1P00APEN-1g |
L-ALPHA-(-)-PINENE OXIDE |
19894-99-6 | 95% | 1g |
$11.00 | 2025-02-25 | |
| 1PlusChem | 1P00APEN-5g |
L-ALPHA-(-)-PINENE OXIDE |
19894-99-6 | 95% | 5g |
$21.00 | 2025-02-25 | |
| 1PlusChem | 1P00APEN-25g |
L-ALPHA-(-)-PINENE OXIDE |
19894-99-6 | 95% | 25g |
$56.00 | 2025-02-25 |
3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, (1R,2R,4S,6R)- Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
Additional information on 3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, (1R,2R,4S,6R)-
3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, (1R,2R,4S,6R)-
3-Oxatricyclo[4.1.1.02,4]octane,2,7,7-trimethyl-, (1R,2R,4S,6R)- is a complex bicyclic compound with a unique structural arrangement that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is also known by its CAS registry number 19894-99-6, which uniquely identifies it in scientific literature and regulatory databases.
The molecular structure of 3-Oxatricyclo[4.1.1.02,4]octane is characterized by a fused bicyclic system consisting of a tricyclo ring system with an oxygen atom at position 3 and three methyl groups attached at positions 2 and 7 (two methyl groups at position 7). The stereochemistry of the compound is specified as (1R,2R,4S,6R), indicating a specific spatial arrangement of the substituents that is critical for its biological activity and chemical reactivity.
Recent studies have highlighted the potential of 3-Oxatricyclo[4.1.1.02,4]octane as a scaffold for drug discovery due to its ability to interact with various biological targets. For instance, researchers have explored its role in modulating enzyme activity and its potential as a lead compound for developing novel therapeutic agents.
The synthesis of 3-Oxatricyclo[4.1.1.02,4]octane involves a multi-step process that typically begins with the preparation of suitable precursors followed by cyclization reactions to form the tricyclic framework. The stereochemical control during these reactions is crucial to ensure the correct configuration of the final product.
In terms of applications,3-Oxatricyclo[4.1.1.02,4]octane has been investigated for its potential in the pharmaceutical industry as well as in materials science due to its rigid and compact structure which can be advantageous in designing molecules with specific physical and chemical properties.
Furthermore,3-Oxatricyclo[4.1.1.02,4]octane has been studied for its role in natural product synthesis where it serves as an intermediate or building block for constructing more complex molecules with bioactive properties.
From an environmental standpoint,the degradation pathways and ecological impact of 3-Oxatricyclo[4.1.1.]octane are areas of active research to ensure sustainable practices in its production and use.
In summary,3-Oxatricyclo[4.]octane, CAS No: 1989-9-6, stands out as an important compound in modern chemistry with diverse applications ranging from drug discovery to materials science.Through ongoing research efforts,the full potential of this compound continues to be explored,making it a subject of interest for both academic and industrial chemists.
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